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1021240-43-6 | 2-(3-OXOPIPERAZIN-1-YL)BENZALDEHYDE
CAS No: 1021240-43-6 Catalog No: AG01C8JJ MDL No:MFCD11156401
Product Description
Catalog Number:
AG01C8JJ
Chemical Name:
2-(3-OXOPIPERAZIN-1-YL)BENZALDEHYDE
CAS Number:
1021240-43-6
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD11156401
IUPAC Name:
2-(3-oxopiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C11H12N2O2/c14-8-9-3-1-2-4-10(9)13-6-5-12-11(15)7-13/h1-4,8H,5-7H2,(H,12,15)
InChI Key:
VFJUMAHPGWPHON-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1N1CCNC(=O)C1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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